Geometry & MOs

Info

ID:	186222
PubChem CID:	77405454
Reduced:	NO2C28H39 (1)
Stoich.:	AB2C28D39 (1)
Weight, g/mol:	411.10591
ΔH_f, kcal/mol:	-94.44
Dipole, Da:	3.6
IP(EA), eV:	-9.1(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-10a,12a-dimethyl-3a,3b,4,5,8,9,10,10b,11,12-decahydro-3H-indeno[4,5-i][3]benzazepin-7-one

Drug info:

PubChemData

Smile

CC1CC2(C(CCC3C2CCC4(C3CC=C4C5=CN=CC=C5)C)C(C16OCCO6)C)C

DOS

IR

Vibrations